SCHEMBL17530833

SCHEMBL17530833

CC(c1cc2cccc(Cl)c2nc1N1CCN(S(C)(=O)=O)CC1)C1(C)N=C(N)N=C(N)N1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
NPY5R Q15761 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
HSD11B1 P28845 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMO Q99835 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL715552 0.83 PIK3CG (0.36) CNR2PIK3CDPIK3CAPIK3CG
SCHEMBL716261 0.83 CNR2 (0.36) CNR1CNR2
SCHEMBL716760 0.82 HRH4 (0.30)
SCHEMBL17530768 0.82 HRH4 (0.30)
SCHEMBL714963 0.79 ALDH1A1 (0.41) CNR1CNR2NPY5RALDH1A1CYP1A2
SCHEMBL17530846 0.79 ALDH1A1 (0.41) CNR1CNR2NPY5RALDH1A1CYP1A2
SCHEMBL717084 0.77 ATR (0.39) PIK3CDPIK3CAPIK3CG
SCHEMBL864791 0.76 PIK3CD (0.35) PIK3CD
SCHEMBL716011 0.75 ADORA2A (0.34) CNR2PIK3CG
SCHEMBL715850 0.75 ADORA2A (0.34) CNR2PIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed